Dataset

N,N-Didodecyl-1-dodecanamine

This MassBank record with Accession MSBNK-Eawag-EQ00343304 contains the MS2 mass spectrum of N,N-Didodecyl-1-dodecanamine with the InChIkey SWZDQOUHBYYPJD-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C36H75N/c1-4-7-10-13-16-19-22-25-28-31-34-37(35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3
SMILES CCCCCCCCCCCCN(CCCCCCCCCCCC)CCCCCCCCCCCC
InChI Key SWZDQOUHBYYPJD-UHFFFAOYSA-N
Molecular Formula C36H75N
Exact Mass 521.590 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00343304
Version
Author
Maintainer
Language
MetadataCreated 2025-02-09T10:06:21.142998
MetadataModified 2025-02-09T10:06:21.327025
MetadataPublished 2024-06-14
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000006920411 ZINC
HMDB0037822 Human Metabolome Database
CHEMBL3183789 ChEMBL
MCULE-9599550175 Mcule
DTXSID8047056 EPA CompTox Dashboard
J150.298K Nikkaji
134485 ChEBI
MTBLC134485 Metabolights
SF36T21U17 FDA SRS
CB5727311 ChemicalBook
SCHEMBL36270 SureChEMBL
496566 eMolecules
7624 PubChem
14811706 PubChem: Thomson Pharma
102-87-4 ACToR
60022183 NMRShiftDB
The data in this table is sourced from UniChem at EBI.